CID 208842

Dimetholizine

Structural Information

Molecular Formula
C15H24N2O2
SMILES
COCCCN1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C15H24N2O2/c1-18-13-5-8-16-9-11-17(12-10-16)14-6-3-4-7-15(14)19-2/h3-4,6-7H,5,8-13H2,1-2H3
InChIKey
ITNSQDCAZVVFMS-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-(3-methoxypropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

264.18378 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 164.4
[M+Na]+ 287.172998 169.2
[M-H]- 263.176504 167.1
[M+NH4]+ 282.217603 178.1
[M+K]+ 303.146938 166.4
[M+H-H2O]+ 247.181040 154.8
[M+HCOO]- 309.181981 181.8
[M+CH3COO]- 323.197631 197.7
[M+Na-2H]- 285.158446 167.5
[M]+ 264.18323142 164.1
[M]- 264.18432858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.